SCHEMBL2256242

SCHEMBL2256242

CC(C)OC(=O)C(C)NCCCBr

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2256244 1.00 LMNA (0.35) LMNATSHRALOX15PPARGNCOA2
SCHEMBL2256557 0.85 CA14 (0.41) TSHR
SCHEMBL2256554 0.85 CA14 (0.41) TSHR
SCHEMBL2259944 0.81 METAP2 (0.38) TSHR
SCHEMBL2259941 0.81 METAP2 (0.38) TSHR
SCHEMBL2255920 0.81 SMN1; SMN2 (0.41) LMNATSHRALOX15PPARGNCOA2
SCHEMBL2255921 0.81 SMN1; SMN2 (0.41) LMNATSHRALOX15PPARGNCOA2
SCHEMBL31548591 0.80 LMNA (0.50) LMNATSHRALOX15
SCHEMBL2259067 0.79 CA12 (0.37)
SCHEMBL2259068 0.79 CA12 (0.37)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242303-B2 Method of producing optically active N-(halopropyl) amino acid derivative NAGASE & CO., LTD. (JP) 2012-08-14 US claimed
EP-2192110-B1 METHOD OF PRODUCING OPTICALLY ACTIVE N-(HALOPROPYL)AMINO ACID DERIVATIVE NAGASE & CO LTD (JP) 2016-05-04 EP disclosed
US-8242303-B2 Method of producing optically active N-(halopropyl) amino acid derivative NAGASE & CO., LTD. (JP) 2012-08-14 US disclosed
US-20110190527-A1 METHOD OF PRODUCING OPTICALLY ACTIVE N-(HALOPROPYL) AMINO ACID DERIVATIVE NAGASE & CO., LTD. (JP) 2011-08-04 US disclosed
EP-2192110-A1 METHOD OF PRODUCING OPTICALLY ACTIVE N-(HALOPROPYL)AMINO ACID DERIVATIVE Nagase & Co., Ltd. (JP) 2010-06-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110190527-A1 METHOD OF PRODUCING OPTICALLY ACTIVE N-(HALOPROPYL) AMINO ACID DERIVATIVE NPPA, NPEPPS, ALAD LMNA 1473/4885TSHR 1997/4885ALOX15 1095/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.